methyl 5-[(2-hydroxyphenyl)carbonylamino]-7-methoxyperoxysulfanyl-4-oxidanyl-naphthalene-2-sulfonate

Systemtic Name: methyl 5-[(2-hydroxyphenyl)carbonylamino]-7-methoxyperoxysulfanyl-4-oxidanyl-naphthalene-2-sulfonate Openeye Name: methyl 4-hydroxy-5-[(2-hydroxybenzoyl)amino]-7-methoxyperoxysulfanyl-naphthalene-2-sulfonate CAS Name: 4-hydroxy-5-[[(2-hydroxyphenyl)-oxomethyl]amino]-7-(methoxydioxythio)-2-naphthalenesulfonic acid methyl ester IUPAC Name: methyl 4-hydroxy-5-[(2-hydroxybenzoyl)amino]-7-methoxyperoxysulfanylnaphthalene-2-sulfonate Traditional Name: 4-hydroxy-7-(methoxyperoxythio)-5-(salicyloylamino)naphthalene-2-sulfonic acid methyl ester Formula: C19H17NO9S2 MolecularWeight: 467.46958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COOOSC1=CC(=C2C(=C1)C=C(C=C2O)S(=O)(=O)OC)NC(=O)C3=CC=CC=C3O

Isomeric SMILES

COOOSC1=CC(=C2C(=C1)C=C(C=C2O)S(=O)(=O)OC)NC(=O)C3=CC=CC=C3O

InChI

InChI=1S/C19H17NO9S2/c1-26-28-29-30-12-7-11-8-13(31(24,25)27-2)10-17(22)18(11)15(9-12)20-19(23)14-5-3-4-6-16(14)21/h3-10,21-22H,1-2H3,(H,20,23)